SCHEMBL6532739

SCHEMBL6532739

CCOc1ccccc1-c1cn(S(=O)(=O)c2ccc(C)cc2)nc1OCc1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.53
SMN1; SMN2 Q16637 3/20 0.53
TSHR P16473 2/20 0.53
LMNA P02545 6/20 0.47
ALDH1A1 P00352 2/20 0.47
MEN1 O00255 6/20 0.43
KMT2A Q03164 6/20 0.43
HTT P42858 3/20 0.43
MAPK1 P28482 2/20 0.43
NPSR1 Q6W5P4 2/20 0.41
PTGER1 P34995 1/20 0.41
PKM P14618 1/20 0.41
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
GAA P10253 2/20 0.40
CD4 P01730 2/20 0.39
AR P10275 1/20 0.39
NPC1 O15118 1/20 0.39

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL2581772 0.91 MAPT (0.66) MAPTSMN1; SMN2TSHRLMNAALDH1A1
SCHEMBL2581381 0.85 MAPT (0.49) MAPTSMN1; SMN2TSHRLMNAALDH1A1
SCHEMBL1386508 0.85 MAPT (0.49) MAPTSMN1; SMN2TSHRLMNAALDH1A1
SCHEMBL2577846 0.85 MAPT (0.59) MAPTSMN1; SMN2TSHRLMNAALDH1A1
SCHEMBL1383980 0.82 MAPT (0.54) MAPTSMN1; SMN2TSHRLMNAALDH1A1
SCHEMBL1385307 0.80 MAPT (0.54) MAPTSMN1; SMN2TSHRLMNAALDH1A1
SCHEMBL2578324 0.80 MAPT (0.54) MAPTSMN1; SMN2TSHRLMNAALDH1A1
SCHEMBL2580618 0.79 ALDH1A1 (0.48) MAPTSMN1; SMN2TSHRLMNAALDH1A1
SCHEMBL2575771 0.79 MAPT (0.44) MAPTSMN1; SMN2TSHRLMNAALDH1A1
SCHEMBL1387086 0.78 MAPT (0.49) MAPTSMN1; SMN2TSHRLMNAALDH1A1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2005051917-A9 PYRAZOLYL DERIVATIVES IN THE FORM OF DRUGS FOR TREATING ACUTE OR CHRONIC NEURONAL REGRESSIONS AVENTIS PHARMA SA (FR) 2005-09-29 WO claimed